(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol

C14H22OS — CID 102831356

IUPAC(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)C1CCC(C)(C)CC1
InChIInChI=1S/C14H22OS/c1-10-12(6-9-16-10)13(15)11-4-7-14(2,3)8-5-11/h6,9,11,13,15H,4-5,7-8H2,1-3H3
InChIKeySEHUTCFSPZHQQP-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.31
Rot. Bonds2

About (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol

(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol (PubChem CID 102831356) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol
PubChem CID102831356
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol
SMILESCc1sccc1C(O)C1CCC(C)(C)CC1
InChIInChI=1S/C14H22OS/c1-10-12(6-9-16-10)13(15)11-4-7-14(2,3)8-5-11/h6,9,11,13,15H,4-5,7-8H2,1-3H3
InChIKeySEHUTCFSPZHQQP-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol
CID 102831364
(3-chlorothiophen-2-yl)-(4,4-dimethylcyclohexyl)methanol
CID 107359543
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
(3-ethyl-1,4-dithian-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102831517
(4,4-difluorocyclohexyl)-(3-methylthiophen-2-yl)methanol
CID 105112974
(2-methylthiophen-3-yl)-(1,4-oxathian-2-yl)methanol
CID 102831462
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471
N-methyl-1-(1-methylcyclopropyl)-1-(2-methylthiophen-3-yl)methanamine
CID 102833419
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
CID 102842375
(4-methylmorpholin-2-yl)-(2-methylthiophen-3-yl)methanol
CID 102831436
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104659592

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol?
The IUPAC name of (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol (CID 102831356) is (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol.
What is the SMILES notation for (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol?
The canonical SMILES for (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol is Cc1sccc1C(O)C1CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol?
The InChIKey is SEHUTCFSPZHQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-10-12(6-9-16-10)13(15)11-4-7-14(2,3)8-5-11/h6,9,11,13,15H,4-5,7-8H2,1-3H3.
What are the key properties of (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol?
(4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol has a molecular weight of 238.40 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl)-(2-methylthiophen-3-yl)methanol is sourced from PubChem (CID 102831356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).